USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 HIS : no HE2:sc= -5.11! C(o=-5.1!,f=-11!) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -0.157 (180deg=-0.319) USER MOD Single : A 14 ASN : amide:sc= -2.01! K(o=-2!,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ -117:sc= -8.67! (180deg=-14.3!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.41 USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= -3.32! (180deg=-5.76!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -4.1! USER MOD Single : A 27 SER OG : rot -109:sc= 1.24 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -30.1! C(o=-30!,f=-29!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.982! (180deg=-2.39!) USER MOD Single : A 64 GLN : amide:sc= -3.72! K(o=-3.7!,f=-0.34) USER MOD Single : A 72 TYR OH : rot 24:sc= -3.12! USER MOD Single : A 75 GLN : amide:sc= -6.46! C(o=-6.5!,f=-9.5!) USER MOD Single : A 76 ASN : amide:sc= -14.1! C(o=-14!,f=-21!) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= -4.5! (180deg=-5.57!) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -4.113 -7.272 11.842 1.00 0.00 N ATOM 21 CA ASN A 2 -3.330 -6.193 12.428 1.00 0.00 C ATOM 22 C ASN A 2 -2.025 -5.986 11.671 1.00 0.00 C ATOM 23 O ASN A 2 -1.503 -4.876 11.599 1.00 0.00 O ATOM 24 CB ASN A 2 -3.033 -6.483 13.900 1.00 0.00 C ATOM 25 CG ASN A 2 -3.146 -7.958 14.233 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.241 -8.473 14.457 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.010 -8.645 14.269 1.00 0.00 N ATOM 0 HA ASN A 2 -3.920 -5.280 12.356 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.028 -6.135 14.141 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.724 -5.918 14.525 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.023 -9.641 14.489 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.125 -8.177 14.076 1.00 0.00 H new ATOM 34 N ASP A 3 -1.495 -7.072 11.127 1.00 0.00 N ATOM 35 CA ASP A 3 -0.235 -7.034 10.391 1.00 0.00 C ATOM 36 C ASP A 3 -0.287 -6.080 9.200 1.00 0.00 C ATOM 37 O ASP A 3 0.709 -5.435 8.871 1.00 0.00 O ATOM 38 CB ASP A 3 0.137 -8.437 9.912 1.00 0.00 C ATOM 39 CG ASP A 3 -0.004 -8.592 8.411 1.00 0.00 C ATOM 40 OD1 ASP A 3 -1.151 -8.560 7.915 1.00 0.00 O ATOM 41 OD2 ASP A 3 1.031 -8.746 7.730 1.00 0.00 O ATOM 0 H ASP A 3 -1.920 -7.998 11.181 1.00 0.00 H new ATOM 0 HA ASP A 3 0.526 -6.662 11.077 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.165 -8.656 10.202 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.498 -9.169 10.411 1.00 0.00 H new ATOM 46 N VAL A 4 -1.436 -6.008 8.545 1.00 0.00 N ATOM 47 CA VAL A 4 -1.590 -5.147 7.377 1.00 0.00 C ATOM 48 C VAL A 4 -1.608 -3.666 7.746 1.00 0.00 C ATOM 49 O VAL A 4 -0.818 -2.886 7.224 1.00 0.00 O ATOM 50 CB VAL A 4 -2.873 -5.482 6.593 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.763 -6.856 5.950 1.00 0.00 C ATOM 52 CG2 VAL A 4 -4.086 -5.405 7.502 1.00 0.00 C ATOM 0 H VAL A 4 -2.273 -6.532 8.799 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.720 -5.339 6.749 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.996 -4.746 5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.679 -7.075 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.916 -6.870 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.615 -7.609 6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.984 -5.644 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.974 -6.118 8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.173 -4.397 7.909 1.00 0.00 H new ATOM 62 N LEU A 5 -2.513 -3.276 8.637 1.00 0.00 N ATOM 63 CA LEU A 5 -2.618 -1.881 9.053 1.00 0.00 C ATOM 64 C LEU A 5 -1.397 -1.444 9.853 1.00 0.00 C ATOM 65 O LEU A 5 -0.976 -0.292 9.780 1.00 0.00 O ATOM 66 CB LEU A 5 -3.907 -1.633 9.849 1.00 0.00 C ATOM 67 CG LEU A 5 -4.069 -2.436 11.140 1.00 0.00 C ATOM 68 CD1 LEU A 5 -4.313 -3.896 10.818 1.00 0.00 C ATOM 69 CD2 LEU A 5 -2.856 -2.272 12.043 1.00 0.00 C ATOM 0 H LEU A 5 -3.182 -3.903 9.084 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.658 -1.275 8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.958 -0.573 10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.757 -1.850 9.202 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.934 -2.051 11.680 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.427 -4.459 11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.221 -3.990 10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.467 -4.291 10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.999 -2.854 12.954 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.965 -2.624 11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.734 -1.220 12.300 1.00 0.00 H new ATOM 81 N THR A 6 -0.841 -2.362 10.625 1.00 0.00 N ATOM 82 CA THR A 6 0.324 -2.064 11.452 1.00 0.00 C ATOM 83 C THR A 6 1.526 -1.664 10.604 1.00 0.00 C ATOM 84 O THR A 6 2.121 -0.606 10.809 1.00 0.00 O ATOM 85 CB THR A 6 0.682 -3.270 12.319 1.00 0.00 C ATOM 86 OG1 THR A 6 1.898 -3.048 13.011 1.00 0.00 O ATOM 87 CG2 THR A 6 0.831 -4.548 11.528 1.00 0.00 C ATOM 0 H THR A 6 -1.176 -3.323 10.699 1.00 0.00 H new ATOM 0 HA THR A 6 0.065 -1.221 12.093 1.00 0.00 H new ATOM 0 HB THR A 6 -0.150 -3.385 13.013 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.109 -3.831 13.561 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.085 -5.366 12.202 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.107 -4.774 11.022 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.623 -4.428 10.788 1.00 0.00 H new ATOM 95 N ARG A 7 1.879 -2.520 9.660 1.00 0.00 N ATOM 96 CA ARG A 7 3.010 -2.275 8.782 1.00 0.00 C ATOM 97 C ARG A 7 2.652 -1.268 7.701 1.00 0.00 C ATOM 98 O ARG A 7 3.389 -0.315 7.454 1.00 0.00 O ATOM 99 CB ARG A 7 3.480 -3.581 8.143 1.00 0.00 C ATOM 100 CG ARG A 7 3.198 -3.666 6.652 1.00 0.00 C ATOM 101 CD ARG A 7 3.994 -2.630 5.874 1.00 0.00 C ATOM 102 NE ARG A 7 4.617 -3.200 4.683 1.00 0.00 N ATOM 103 CZ ARG A 7 5.602 -4.091 4.723 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.073 -4.510 5.890 1.00 0.00 N ATOM 105 NH2 ARG A 7 6.117 -4.563 3.595 1.00 0.00 N ATOM 0 H ARG A 7 1.393 -3.399 9.481 1.00 0.00 H new ATOM 0 HA ARG A 7 3.820 -1.861 9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.552 -3.691 8.308 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.992 -4.417 8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.446 -4.664 6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.133 -3.518 6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.336 -1.811 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.764 -2.206 6.518 1.00 0.00 H new ATOM 0 HE ARG A 7 4.277 -2.898 3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.679 -4.148 6.759 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.829 -5.194 5.919 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.757 -4.242 2.696 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.873 -5.247 3.627 1.00 0.00 H new ATOM 119 N VAL A 8 1.514 -1.491 7.057 1.00 0.00 N ATOM 120 CA VAL A 8 1.054 -0.612 5.995 1.00 0.00 C ATOM 121 C VAL A 8 0.855 0.811 6.505 1.00 0.00 C ATOM 122 O VAL A 8 1.351 1.771 5.914 1.00 0.00 O ATOM 123 CB VAL A 8 -0.266 -1.112 5.378 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.456 -0.438 6.043 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.280 -0.871 3.877 1.00 0.00 C ATOM 0 H VAL A 8 0.893 -2.276 7.254 1.00 0.00 H new ATOM 0 HA VAL A 8 1.828 -0.617 5.228 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.341 -2.185 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.379 -0.804 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.455 -0.667 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.388 0.641 5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.220 -1.231 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.180 0.196 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.550 -1.405 3.415 1.00 0.00 H new ATOM 135 N LEU A 9 0.130 0.939 7.609 1.00 0.00 N ATOM 136 CA LEU A 9 -0.127 2.246 8.203 1.00 0.00 C ATOM 137 C LEU A 9 1.181 2.942 8.555 1.00 0.00 C ATOM 138 O LEU A 9 1.338 4.144 8.334 1.00 0.00 O ATOM 139 CB LEU A 9 -0.994 2.100 9.457 1.00 0.00 C ATOM 140 CG LEU A 9 -0.228 1.744 10.732 1.00 0.00 C ATOM 141 CD1 LEU A 9 0.515 2.960 11.265 1.00 0.00 C ATOM 142 CD2 LEU A 9 -1.177 1.193 11.786 1.00 0.00 C ATOM 0 H LEU A 9 -0.290 0.156 8.111 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.660 2.854 7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.530 3.035 9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.744 1.331 9.275 1.00 0.00 H new ATOM 0 HG LEU A 9 0.504 0.973 10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.054 2.688 12.172 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.222 3.312 10.514 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.199 3.752 11.491 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.616 0.945 12.687 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.932 1.943 12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.664 0.296 11.404 1.00 0.00 H new ATOM 154 N GLU A 10 2.119 2.178 9.106 1.00 0.00 N ATOM 155 CA GLU A 10 3.416 2.717 9.493 1.00 0.00 C ATOM 156 C GLU A 10 4.205 3.185 8.277 1.00 0.00 C ATOM 157 O GLU A 10 4.957 4.158 8.349 1.00 0.00 O ATOM 158 CB GLU A 10 4.218 1.668 10.265 1.00 0.00 C ATOM 159 CG GLU A 10 4.431 0.377 9.492 1.00 0.00 C ATOM 160 CD GLU A 10 5.496 -0.504 10.113 1.00 0.00 C ATOM 161 OE1 GLU A 10 6.055 -0.114 11.160 1.00 0.00 O ATOM 162 OE2 GLU A 10 5.773 -1.586 9.552 1.00 0.00 O ATOM 0 H GLU A 10 2.004 1.182 9.294 1.00 0.00 H new ATOM 0 HA GLU A 10 3.241 3.579 10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.188 2.087 10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.702 1.442 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.491 -0.173 9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.713 0.614 8.466 1.00 0.00 H new ATOM 169 N VAL A 11 4.033 2.489 7.162 1.00 0.00 N ATOM 170 CA VAL A 11 4.736 2.836 5.933 1.00 0.00 C ATOM 171 C VAL A 11 4.377 4.234 5.465 1.00 0.00 C ATOM 172 O VAL A 11 5.235 4.983 5.010 1.00 0.00 O ATOM 173 CB VAL A 11 4.447 1.855 4.792 1.00 0.00 C ATOM 174 CG1 VAL A 11 5.709 1.605 3.984 1.00 0.00 C ATOM 175 CG2 VAL A 11 3.871 0.552 5.319 1.00 0.00 C ATOM 0 H VAL A 11 3.414 1.682 7.082 1.00 0.00 H new ATOM 0 HA VAL A 11 5.797 2.786 6.179 1.00 0.00 H new ATOM 0 HB VAL A 11 3.699 2.302 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.491 0.906 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.065 2.546 3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.478 1.183 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.677 -0.123 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.583 0.089 6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.939 0.754 5.848 1.00 0.00 H new ATOM 185 N VAL A 12 3.104 4.574 5.571 1.00 0.00 N ATOM 186 CA VAL A 12 2.626 5.885 5.151 1.00 0.00 C ATOM 187 C VAL A 12 3.118 6.983 6.089 1.00 0.00 C ATOM 188 O VAL A 12 3.547 8.048 5.645 1.00 0.00 O ATOM 189 CB VAL A 12 1.086 5.928 5.095 1.00 0.00 C ATOM 190 CG1 VAL A 12 0.571 5.088 3.936 1.00 0.00 C ATOM 191 CG2 VAL A 12 0.491 5.456 6.412 1.00 0.00 C ATOM 0 H VAL A 12 2.380 3.961 5.945 1.00 0.00 H new ATOM 0 HA VAL A 12 3.027 6.060 4.153 1.00 0.00 H new ATOM 0 HB VAL A 12 0.774 6.960 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.518 5.130 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.970 5.477 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.891 4.054 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.597 5.493 6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.809 4.432 6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.834 6.104 7.219 1.00 0.00 H new ATOM 201 N LYS A 13 3.039 6.721 7.388 1.00 0.00 N ATOM 202 CA LYS A 13 3.461 7.690 8.393 1.00 0.00 C ATOM 203 C LYS A 13 4.972 7.918 8.369 1.00 0.00 C ATOM 204 O LYS A 13 5.440 9.024 8.637 1.00 0.00 O ATOM 205 CB LYS A 13 3.035 7.222 9.786 1.00 0.00 C ATOM 206 CG LYS A 13 1.594 6.745 9.854 1.00 0.00 C ATOM 207 CD LYS A 13 1.311 6.025 11.163 1.00 0.00 C ATOM 208 CE LYS A 13 -0.166 6.078 11.519 1.00 0.00 C ATOM 209 NZ LYS A 13 -0.403 5.760 12.953 1.00 0.00 N ATOM 0 H LYS A 13 2.686 5.844 7.771 1.00 0.00 H new ATOM 0 HA LYS A 13 2.976 8.637 8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.692 6.413 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.172 8.041 10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.922 7.597 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.390 6.077 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.631 4.986 11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.896 6.479 11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.557 7.071 11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.715 5.373 10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.402 5.507 13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.199 4.960 13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.172 6.590 13.535 1.00 0.00 H new ATOM 223 N ASN A 14 5.730 6.869 8.060 1.00 0.00 N ATOM 224 CA ASN A 14 7.180 6.969 8.024 1.00 0.00 C ATOM 225 C ASN A 14 7.694 7.155 6.602 1.00 0.00 C ATOM 226 O ASN A 14 8.894 7.319 6.383 1.00 0.00 O ATOM 227 CB ASN A 14 7.812 5.723 8.647 1.00 0.00 C ATOM 228 CG ASN A 14 7.218 5.390 10.002 1.00 0.00 C ATOM 229 OD1 ASN A 14 7.295 6.184 10.940 1.00 0.00 O ATOM 230 ND2 ASN A 14 6.622 4.208 10.112 1.00 0.00 N ATOM 0 H ASN A 14 5.363 5.945 7.832 1.00 0.00 H new ATOM 0 HA ASN A 14 7.465 7.848 8.603 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.676 4.875 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.886 5.877 8.752 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.205 3.928 11.000 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.581 3.581 9.309 1.00 0.00 H new ATOM 237 N PHE A 15 6.782 7.132 5.640 1.00 0.00 N ATOM 238 CA PHE A 15 7.143 7.300 4.246 1.00 0.00 C ATOM 239 C PHE A 15 7.220 8.779 3.887 1.00 0.00 C ATOM 240 O PHE A 15 7.787 9.150 2.861 1.00 0.00 O ATOM 241 CB PHE A 15 6.129 6.594 3.346 1.00 0.00 C ATOM 242 CG PHE A 15 5.790 7.367 2.108 1.00 0.00 C ATOM 243 CD1 PHE A 15 5.220 8.624 2.202 1.00 0.00 C ATOM 244 CD2 PHE A 15 6.039 6.839 0.852 1.00 0.00 C ATOM 245 CE1 PHE A 15 4.904 9.344 1.065 1.00 0.00 C ATOM 246 CE2 PHE A 15 5.727 7.552 -0.289 1.00 0.00 C ATOM 247 CZ PHE A 15 5.159 8.807 -0.182 1.00 0.00 C ATOM 0 H PHE A 15 5.784 6.998 5.804 1.00 0.00 H new ATOM 0 HA PHE A 15 8.125 6.853 4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.525 5.620 3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.216 6.412 3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.020 9.048 3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.482 5.858 0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.459 10.324 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.927 7.130 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.915 9.368 -1.072 1.00 0.00 H new ATOM 257 N GLU A 16 6.640 9.615 4.745 1.00 0.00 N ATOM 258 CA GLU A 16 6.631 11.059 4.535 1.00 0.00 C ATOM 259 C GLU A 16 5.223 11.550 4.221 1.00 0.00 C ATOM 260 O GLU A 16 5.027 12.708 3.850 1.00 0.00 O ATOM 261 CB GLU A 16 7.579 11.453 3.400 1.00 0.00 C ATOM 262 CG GLU A 16 6.952 11.355 2.026 1.00 0.00 C ATOM 263 CD GLU A 16 7.825 10.612 1.033 1.00 0.00 C ATOM 264 OE1 GLU A 16 9.052 10.546 1.254 1.00 0.00 O ATOM 265 OE2 GLU A 16 7.281 10.097 0.034 1.00 0.00 O ATOM 0 H GLU A 16 6.168 9.314 5.597 1.00 0.00 H new ATOM 0 HA GLU A 16 6.973 11.529 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.921 12.475 3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.460 10.812 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.990 10.849 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.755 12.359 1.649 1.00 0.00 H new ATOM 272 N LYS A 17 4.243 10.663 4.366 1.00 0.00 N ATOM 273 CA LYS A 17 2.857 11.013 4.092 1.00 0.00 C ATOM 274 C LYS A 17 2.366 12.094 5.048 1.00 0.00 C ATOM 275 O LYS A 17 1.790 13.096 4.623 1.00 0.00 O ATOM 276 CB LYS A 17 1.961 9.777 4.202 1.00 0.00 C ATOM 277 CG LYS A 17 2.531 8.545 3.530 1.00 0.00 C ATOM 278 CD LYS A 17 2.377 8.641 2.031 1.00 0.00 C ATOM 279 CE LYS A 17 0.988 8.211 1.591 1.00 0.00 C ATOM 280 NZ LYS A 17 0.888 6.734 1.428 1.00 0.00 N ATOM 0 H LYS A 17 4.384 9.700 4.671 1.00 0.00 H new ATOM 0 HA LYS A 17 2.806 11.401 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.789 9.558 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.990 10.003 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.585 8.438 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.021 7.654 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.562 9.666 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.125 8.014 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.255 8.545 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.739 8.698 0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.679 6.508 0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.789 6.293 1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.126 6.369 2.034 1.00 0.00 H new ATOM 294 N VAL A 18 2.599 11.889 6.341 1.00 0.00 N ATOM 295 CA VAL A 18 2.178 12.852 7.351 1.00 0.00 C ATOM 296 C VAL A 18 2.462 12.339 8.757 1.00 0.00 C ATOM 297 O VAL A 18 2.466 11.131 8.999 1.00 0.00 O ATOM 298 CB VAL A 18 0.677 13.173 7.228 1.00 0.00 C ATOM 299 CG1 VAL A 18 0.473 14.558 6.632 1.00 0.00 C ATOM 300 CG2 VAL A 18 -0.029 12.115 6.393 1.00 0.00 C ATOM 0 H VAL A 18 3.076 11.067 6.712 1.00 0.00 H new ATOM 0 HA VAL A 18 2.754 13.761 7.178 1.00 0.00 H new ATOM 0 HB VAL A 18 0.240 13.166 8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.594 14.767 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.942 15.303 7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.925 14.598 5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.089 12.359 6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.409 12.087 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.086 11.140 6.867 1.00 0.00 H new ATOM 310 N ASP A 19 2.692 13.262 9.685 1.00 0.00 N ATOM 311 CA ASP A 19 2.970 12.902 11.067 1.00 0.00 C ATOM 312 C ASP A 19 1.747 12.255 11.710 1.00 0.00 C ATOM 313 O ASP A 19 0.617 12.683 11.483 1.00 0.00 O ATOM 314 CB ASP A 19 3.388 14.138 11.865 1.00 0.00 C ATOM 315 CG ASP A 19 4.887 14.368 11.833 1.00 0.00 C ATOM 316 OD1 ASP A 19 5.569 13.718 11.015 1.00 0.00 O ATOM 317 OD2 ASP A 19 5.377 15.198 12.628 1.00 0.00 O ATOM 0 H ASP A 19 2.691 14.266 9.503 1.00 0.00 H new ATOM 0 HA ASP A 19 3.789 12.183 11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.880 15.015 11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.062 14.027 12.899 1.00 0.00 H new ATOM 322 N ALA A 20 1.981 11.221 12.511 1.00 0.00 N ATOM 323 CA ALA A 20 0.895 10.517 13.181 1.00 0.00 C ATOM 324 C ALA A 20 0.081 11.465 14.054 1.00 0.00 C ATOM 325 O ALA A 20 -1.087 11.207 14.348 1.00 0.00 O ATOM 326 CB ALA A 20 1.444 9.368 14.014 1.00 0.00 C ATOM 0 H ALA A 20 2.911 10.853 12.711 1.00 0.00 H new ATOM 0 HA ALA A 20 0.233 10.112 12.416 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.621 8.852 14.508 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.974 8.670 13.366 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.131 9.759 14.765 1.00 0.00 H new ATOM 332 N SER A 21 0.706 12.560 14.466 1.00 0.00 N ATOM 333 CA SER A 21 0.045 13.548 15.308 1.00 0.00 C ATOM 334 C SER A 21 -1.078 14.248 14.550 1.00 0.00 C ATOM 335 O SER A 21 -1.976 14.837 15.153 1.00 0.00 O ATOM 336 CB SER A 21 1.056 14.580 15.811 1.00 0.00 C ATOM 337 OG SER A 21 2.207 14.610 14.986 1.00 0.00 O ATOM 0 H SER A 21 1.672 12.787 14.230 1.00 0.00 H new ATOM 0 HA SER A 21 -0.388 13.027 16.162 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.594 15.567 15.831 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.345 14.342 16.835 1.00 0.00 H new ATOM 0 HG SER A 21 2.837 15.279 15.328 1.00 0.00 H new ATOM 343 N LYS A 22 -1.020 14.182 13.224 1.00 0.00 N ATOM 344 CA LYS A 22 -2.026 14.809 12.384 1.00 0.00 C ATOM 345 C LYS A 22 -3.000 13.773 11.829 1.00 0.00 C ATOM 346 O LYS A 22 -4.074 14.119 11.336 1.00 0.00 O ATOM 347 CB LYS A 22 -1.363 15.566 11.231 1.00 0.00 C ATOM 348 CG LYS A 22 -0.753 14.657 10.177 1.00 0.00 C ATOM 349 CD LYS A 22 0.696 15.022 9.900 1.00 0.00 C ATOM 350 CE LYS A 22 0.871 16.522 9.732 1.00 0.00 C ATOM 351 NZ LYS A 22 1.595 16.860 8.475 1.00 0.00 N ATOM 0 H LYS A 22 -0.284 13.699 12.710 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.584 15.514 13.001 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.103 16.211 10.758 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.585 16.215 11.633 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.811 13.621 10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.330 14.728 9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.324 14.671 10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.035 14.512 8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.107 17.003 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.419 16.921 10.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.130 17.742 8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.251 16.090 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.910 16.985 7.703 1.00 0.00 H new ATOM 365 N VAL A 23 -2.616 12.503 11.906 1.00 0.00 N ATOM 366 CA VAL A 23 -3.452 11.424 11.406 1.00 0.00 C ATOM 367 C VAL A 23 -4.457 10.961 12.455 1.00 0.00 C ATOM 368 O VAL A 23 -4.084 10.588 13.567 1.00 0.00 O ATOM 369 CB VAL A 23 -2.604 10.219 10.959 1.00 0.00 C ATOM 370 CG1 VAL A 23 -1.412 10.679 10.133 1.00 0.00 C ATOM 371 CG2 VAL A 23 -2.147 9.411 12.165 1.00 0.00 C ATOM 0 H VAL A 23 -1.731 12.198 12.310 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.992 11.822 10.547 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.222 9.576 10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.825 9.813 9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.765 11.209 9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.790 11.345 10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.549 8.564 11.830 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.546 10.043 12.820 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.018 9.047 12.711 1.00 0.00 H new ATOM 381 N THR A 24 -5.733 10.981 12.086 1.00 0.00 N ATOM 382 CA THR A 24 -6.797 10.560 12.975 1.00 0.00 C ATOM 383 C THR A 24 -7.477 9.302 12.444 1.00 0.00 C ATOM 384 O THR A 24 -7.302 8.937 11.282 1.00 0.00 O ATOM 385 CB THR A 24 -7.822 11.681 13.148 1.00 0.00 C ATOM 386 OG1 THR A 24 -9.120 11.148 13.344 1.00 0.00 O ATOM 387 CG2 THR A 24 -7.886 12.622 11.966 1.00 0.00 C ATOM 0 H THR A 24 -6.052 11.288 11.167 1.00 0.00 H new ATOM 0 HA THR A 24 -6.359 10.332 13.947 1.00 0.00 H new ATOM 0 HB THR A 24 -7.490 12.243 14.021 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.761 11.881 13.454 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.633 13.393 12.155 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.912 13.089 11.819 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.159 12.064 11.071 1.00 0.00 H new ATOM 395 N PRO A 25 -8.263 8.620 13.289 1.00 0.00 N ATOM 396 CA PRO A 25 -8.970 7.398 12.892 1.00 0.00 C ATOM 397 C PRO A 25 -9.858 7.619 11.673 1.00 0.00 C ATOM 398 O PRO A 25 -9.997 6.738 10.825 1.00 0.00 O ATOM 399 CB PRO A 25 -9.822 7.061 14.120 1.00 0.00 C ATOM 400 CG PRO A 25 -9.139 7.737 15.259 1.00 0.00 C ATOM 401 CD PRO A 25 -8.525 8.985 14.691 1.00 0.00 C ATOM 0 HA PRO A 25 -8.281 6.603 12.606 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.844 7.421 14.002 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.880 5.984 14.277 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.847 7.977 16.052 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.377 7.091 15.696 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.201 9.837 14.766 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.609 9.258 15.215 1.00 0.00 H new ATOM 409 N GLU A 26 -10.450 8.806 11.588 1.00 0.00 N ATOM 410 CA GLU A 26 -11.317 9.154 10.473 1.00 0.00 C ATOM 411 C GLU A 26 -10.606 10.097 9.509 1.00 0.00 C ATOM 412 O GLU A 26 -11.243 10.753 8.684 1.00 0.00 O ATOM 413 CB GLU A 26 -12.607 9.799 10.983 1.00 0.00 C ATOM 414 CG GLU A 26 -12.461 11.277 11.305 1.00 0.00 C ATOM 415 CD GLU A 26 -13.713 12.069 10.982 1.00 0.00 C ATOM 416 OE1 GLU A 26 -14.817 11.489 11.043 1.00 0.00 O ATOM 417 OE2 GLU A 26 -13.589 13.272 10.667 1.00 0.00 O ATOM 0 H GLU A 26 -10.343 9.545 12.283 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.568 8.238 9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.387 9.674 10.232 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.938 9.272 11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.224 11.393 12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.621 11.686 10.744 1.00 0.00 H new ATOM 424 N SER A 27 -9.284 10.168 9.625 1.00 0.00 N ATOM 425 CA SER A 27 -8.484 11.039 8.772 1.00 0.00 C ATOM 426 C SER A 27 -8.647 10.679 7.300 1.00 0.00 C ATOM 427 O SER A 27 -8.550 9.513 6.918 1.00 0.00 O ATOM 428 CB SER A 27 -7.008 10.952 9.164 1.00 0.00 C ATOM 429 OG SER A 27 -6.443 12.243 9.314 1.00 0.00 O ATOM 0 H SER A 27 -8.743 9.631 10.303 1.00 0.00 H new ATOM 0 HA SER A 27 -8.839 12.060 8.915 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.908 10.397 10.097 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.459 10.397 8.403 1.00 0.00 H new ATOM 0 HG SER A 27 -5.821 12.416 8.576 1.00 0.00 H new ATOM 435 N HIS A 28 -8.888 11.695 6.477 1.00 0.00 N ATOM 436 CA HIS A 28 -9.057 11.503 5.049 1.00 0.00 C ATOM 437 C HIS A 28 -7.708 11.537 4.339 1.00 0.00 C ATOM 438 O HIS A 28 -6.783 12.217 4.780 1.00 0.00 O ATOM 439 CB HIS A 28 -9.980 12.577 4.471 1.00 0.00 C ATOM 440 CG HIS A 28 -11.429 12.203 4.505 1.00 0.00 C ATOM 441 ND1 HIS A 28 -11.975 11.234 3.690 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.449 12.674 5.262 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.268 11.125 3.945 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.579 11.987 4.894 1.00 0.00 N ATOM 0 H HIS A 28 -8.970 12.665 6.782 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.511 10.525 4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.839 13.503 5.028 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.689 12.778 3.440 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -11.462 10.687 2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.385 13.446 6.015 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.953 10.446 3.459 1.00 0.00 H new ATOM 453 N PHE A 29 -7.597 10.798 3.241 1.00 0.00 N ATOM 454 CA PHE A 29 -6.355 10.750 2.482 1.00 0.00 C ATOM 455 C PHE A 29 -6.067 12.096 1.824 1.00 0.00 C ATOM 456 O PHE A 29 -5.530 13.005 2.458 1.00 0.00 O ATOM 457 CB PHE A 29 -6.420 9.646 1.425 1.00 0.00 C ATOM 458 CG PHE A 29 -5.088 9.330 0.804 1.00 0.00 C ATOM 459 CD1 PHE A 29 -3.981 10.118 1.072 1.00 0.00 C ATOM 460 CD2 PHE A 29 -4.945 8.246 -0.047 1.00 0.00 C ATOM 461 CE1 PHE A 29 -2.754 9.829 0.504 1.00 0.00 C ATOM 462 CE2 PHE A 29 -3.721 7.952 -0.618 1.00 0.00 C ATOM 463 CZ PHE A 29 -2.625 8.747 -0.342 1.00 0.00 C ATOM 0 H PHE A 29 -8.350 10.226 2.858 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.542 10.527 3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.823 8.741 1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.115 9.945 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.077 10.968 1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.800 7.624 -0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.898 10.450 0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.622 7.103 -1.278 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.668 8.521 -0.788 1.00 0.00 H new ATOM 473 N VAL A 30 -6.424 12.217 0.553 1.00 0.00 N ATOM 474 CA VAL A 30 -6.204 13.454 -0.188 1.00 0.00 C ATOM 475 C VAL A 30 -6.837 14.642 0.522 1.00 0.00 C ATOM 476 O VAL A 30 -6.344 15.767 0.442 1.00 0.00 O ATOM 477 CB VAL A 30 -6.767 13.362 -1.619 1.00 0.00 C ATOM 478 CG1 VAL A 30 -6.004 14.288 -2.554 1.00 0.00 C ATOM 479 CG2 VAL A 30 -6.718 11.927 -2.120 1.00 0.00 C ATOM 0 H VAL A 30 -6.867 11.474 0.012 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.125 13.601 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.809 13.681 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.416 14.209 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.097 15.316 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.952 14.003 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.120 11.881 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.685 11.578 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.314 11.292 -1.464 1.00 0.00 H new ATOM 489 N LYS A 31 -7.937 14.379 1.209 1.00 0.00 N ATOM 490 CA LYS A 31 -8.659 15.417 1.934 1.00 0.00 C ATOM 491 C LYS A 31 -7.847 15.931 3.120 1.00 0.00 C ATOM 492 O LYS A 31 -7.862 17.125 3.421 1.00 0.00 O ATOM 493 CB LYS A 31 -10.007 14.882 2.420 1.00 0.00 C ATOM 494 CG LYS A 31 -10.572 13.773 1.547 1.00 0.00 C ATOM 495 CD LYS A 31 -12.037 13.511 1.859 1.00 0.00 C ATOM 496 CE LYS A 31 -12.942 14.515 1.165 1.00 0.00 C ATOM 497 NZ LYS A 31 -14.053 14.966 2.047 1.00 0.00 N ATOM 0 H LYS A 31 -8.353 13.450 1.281 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.826 16.248 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.895 14.510 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.722 15.704 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.465 14.045 0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.997 12.860 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.302 12.502 1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.195 13.561 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.354 15.378 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.355 14.067 0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.647 15.650 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.630 14.147 2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.660 15.417 2.898 1.00 0.00 H new ATOM 511 N ASP A 32 -7.148 15.025 3.797 1.00 0.00 N ATOM 512 CA ASP A 32 -6.345 15.391 4.952 1.00 0.00 C ATOM 513 C ASP A 32 -4.945 15.833 4.537 1.00 0.00 C ATOM 514 O ASP A 32 -4.120 16.174 5.385 1.00 0.00 O ATOM 515 CB ASP A 32 -6.252 14.218 5.929 1.00 0.00 C ATOM 516 CG ASP A 32 -5.836 14.656 7.319 1.00 0.00 C ATOM 517 OD1 ASP A 32 -6.277 15.738 7.759 1.00 0.00 O ATOM 518 OD2 ASP A 32 -5.069 13.915 7.971 1.00 0.00 O ATOM 0 H ASP A 32 -7.123 14.032 3.563 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.836 16.231 5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.218 13.716 5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.535 13.489 5.551 1.00 0.00 H new ATOM 523 N LEU A 33 -4.686 15.827 3.233 1.00 0.00 N ATOM 524 CA LEU A 33 -3.387 16.230 2.702 1.00 0.00 C ATOM 525 C LEU A 33 -2.699 15.068 1.992 1.00 0.00 C ATOM 526 O LEU A 33 -1.510 14.823 2.191 1.00 0.00 O ATOM 527 CB LEU A 33 -2.487 16.761 3.821 1.00 0.00 C ATOM 528 CG LEU A 33 -2.968 18.054 4.482 1.00 0.00 C ATOM 529 CD1 LEU A 33 -2.701 18.020 5.978 1.00 0.00 C ATOM 530 CD2 LEU A 33 -2.294 19.259 3.844 1.00 0.00 C ATOM 0 H LEU A 33 -5.361 15.546 2.522 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.559 17.026 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.395 15.992 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.489 16.928 3.415 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.044 18.141 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.050 18.948 6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.230 17.178 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.631 17.910 6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.647 20.171 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.214 19.179 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.537 19.292 2.782 1.00 0.00 H new ATOM 542 N GLY A 34 -3.455 14.355 1.163 1.00 0.00 N ATOM 543 CA GLY A 34 -2.898 13.228 0.437 1.00 0.00 C ATOM 544 C GLY A 34 -1.580 13.565 -0.232 1.00 0.00 C ATOM 545 O GLY A 34 -1.384 14.683 -0.707 1.00 0.00 O ATOM 0 H GLY A 34 -4.442 14.537 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.751 12.394 1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.611 12.897 -0.318 1.00 0.00 H new ATOM 549 N LEU A 35 -0.673 12.593 -0.268 1.00 0.00 N ATOM 550 CA LEU A 35 0.633 12.787 -0.879 1.00 0.00 C ATOM 551 C LEU A 35 0.538 12.746 -2.402 1.00 0.00 C ATOM 552 O LEU A 35 -0.391 12.164 -2.960 1.00 0.00 O ATOM 553 CB LEU A 35 1.612 11.721 -0.384 1.00 0.00 C ATOM 554 CG LEU A 35 2.039 11.870 1.077 1.00 0.00 C ATOM 555 CD1 LEU A 35 2.427 13.310 1.374 1.00 0.00 C ATOM 556 CD2 LEU A 35 0.925 11.413 2.006 1.00 0.00 C ATOM 0 H LEU A 35 -0.822 11.662 0.121 1.00 0.00 H new ATOM 0 HA LEU A 35 1.000 13.771 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.156 10.740 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.502 11.746 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 35 2.910 11.238 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.728 13.398 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.257 13.603 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.574 13.963 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.246 11.526 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.036 12.019 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.694 10.366 1.810 1.00 0.00 H new ATOM 568 N ASN A 36 1.504 13.373 -3.066 1.00 0.00 N ATOM 569 CA ASN A 36 1.527 13.415 -4.524 1.00 0.00 C ATOM 570 C ASN A 36 1.406 12.015 -5.120 1.00 0.00 C ATOM 571 O ASN A 36 1.184 11.041 -4.402 1.00 0.00 O ATOM 572 CB ASN A 36 2.809 14.088 -5.018 1.00 0.00 C ATOM 573 CG ASN A 36 3.968 13.120 -5.116 1.00 0.00 C ATOM 574 OD1 ASN A 36 4.709 12.922 -4.154 1.00 0.00 O ATOM 575 ND2 ASN A 36 4.130 12.517 -6.284 1.00 0.00 N ATOM 0 H ASN A 36 2.281 13.859 -2.618 1.00 0.00 H new ATOM 0 HA ASN A 36 0.669 14.000 -4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.628 14.534 -5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.074 14.900 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.896 11.856 -6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.489 12.714 -7.053 1.00 0.00 H new ATOM 582 N SER A 37 1.538 11.929 -6.441 1.00 0.00 N ATOM 583 CA SER A 37 1.427 10.653 -7.145 1.00 0.00 C ATOM 584 C SER A 37 2.534 9.682 -6.753 1.00 0.00 C ATOM 585 O SER A 37 2.270 8.605 -6.220 1.00 0.00 O ATOM 586 CB SER A 37 1.455 10.884 -8.656 1.00 0.00 C ATOM 587 OG SER A 37 0.560 10.011 -9.322 1.00 0.00 O ATOM 0 H SER A 37 1.722 12.729 -7.047 1.00 0.00 H new ATOM 0 HA SER A 37 0.476 10.205 -6.856 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.189 11.918 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.466 10.729 -9.032 1.00 0.00 H new ATOM 0 HG SER A 37 0.595 10.180 -10.287 1.00 0.00 H new ATOM 592 N LEU A 38 3.771 10.061 -7.036 1.00 0.00 N ATOM 593 CA LEU A 38 4.919 9.212 -6.731 1.00 0.00 C ATOM 594 C LEU A 38 4.880 8.721 -5.289 1.00 0.00 C ATOM 595 O LEU A 38 5.592 7.788 -4.918 1.00 0.00 O ATOM 596 CB LEU A 38 6.237 9.946 -7.032 1.00 0.00 C ATOM 597 CG LEU A 38 6.793 10.868 -5.938 1.00 0.00 C ATOM 598 CD1 LEU A 38 7.000 12.270 -6.486 1.00 0.00 C ATOM 599 CD2 LEU A 38 5.891 10.908 -4.715 1.00 0.00 C ATOM 0 H LEU A 38 4.008 10.950 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 38 4.866 8.335 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.996 9.198 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.094 10.541 -7.934 1.00 0.00 H new ATOM 0 HG LEU A 38 7.753 10.460 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.395 12.913 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.706 12.236 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.048 12.668 -6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.323 11.572 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.906 11.276 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.797 9.905 -4.299 1.00 0.00 H new ATOM 611 N ASP A 39 4.035 9.348 -4.479 1.00 0.00 N ATOM 612 CA ASP A 39 3.897 8.972 -3.080 1.00 0.00 C ATOM 613 C ASP A 39 3.023 7.734 -2.943 1.00 0.00 C ATOM 614 O ASP A 39 3.500 6.606 -3.054 1.00 0.00 O ATOM 615 CB ASP A 39 3.301 10.128 -2.276 1.00 0.00 C ATOM 616 CG ASP A 39 4.266 11.290 -2.138 1.00 0.00 C ATOM 617 OD1 ASP A 39 5.472 11.040 -1.930 1.00 0.00 O ATOM 618 OD2 ASP A 39 3.818 12.452 -2.238 1.00 0.00 O ATOM 0 H ASP A 39 3.435 10.120 -4.769 1.00 0.00 H new ATOM 0 HA ASP A 39 4.887 8.743 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.388 10.472 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.020 9.772 -1.285 1.00 0.00 H new ATOM 623 N VAL A 40 1.739 7.957 -2.707 1.00 0.00 N ATOM 624 CA VAL A 40 0.789 6.863 -2.559 1.00 0.00 C ATOM 625 C VAL A 40 1.072 5.754 -3.567 1.00 0.00 C ATOM 626 O VAL A 40 0.820 4.581 -3.300 1.00 0.00 O ATOM 627 CB VAL A 40 -0.662 7.346 -2.739 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.024 7.423 -4.214 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.624 6.434 -1.994 1.00 0.00 C ATOM 0 H VAL A 40 1.330 8.887 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 40 0.909 6.475 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.745 8.348 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.053 7.766 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.355 8.122 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.923 6.436 -4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.645 6.791 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.538 5.419 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.380 6.437 -0.932 1.00 0.00 H new ATOM 639 N VAL A 41 1.595 6.136 -4.729 1.00 0.00 N ATOM 640 CA VAL A 41 1.907 5.176 -5.778 1.00 0.00 C ATOM 641 C VAL A 41 3.083 4.286 -5.387 1.00 0.00 C ATOM 642 O VAL A 41 3.043 3.071 -5.585 1.00 0.00 O ATOM 643 CB VAL A 41 2.234 5.881 -7.108 1.00 0.00 C ATOM 644 CG1 VAL A 41 1.153 6.892 -7.456 1.00 0.00 C ATOM 645 CG2 VAL A 41 3.597 6.548 -7.037 1.00 0.00 C ATOM 0 H VAL A 41 1.811 7.104 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 41 1.018 4.559 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 41 2.264 5.131 -7.898 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.401 7.380 -8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.195 6.381 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.087 7.640 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.811 7.041 -7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.599 7.287 -6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.360 5.796 -6.839 1.00 0.00 H new ATOM 655 N GLU A 42 4.128 4.891 -4.831 1.00 0.00 N ATOM 656 CA GLU A 42 5.306 4.142 -4.417 1.00 0.00 C ATOM 657 C GLU A 42 4.979 3.247 -3.230 1.00 0.00 C ATOM 658 O GLU A 42 5.419 2.099 -3.154 1.00 0.00 O ATOM 659 CB GLU A 42 6.447 5.095 -4.057 1.00 0.00 C ATOM 660 CG GLU A 42 7.495 5.230 -5.150 1.00 0.00 C ATOM 661 CD GLU A 42 8.910 5.220 -4.606 1.00 0.00 C ATOM 662 OE1 GLU A 42 9.222 6.071 -3.746 1.00 0.00 O ATOM 663 OE2 GLU A 42 9.707 4.362 -5.040 1.00 0.00 O ATOM 0 H GLU A 42 4.182 5.895 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 42 5.623 3.515 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.032 6.079 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.929 4.743 -3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.378 4.414 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.327 6.158 -5.697 1.00 0.00 H new ATOM 670 N VAL A 43 4.197 3.788 -2.313 1.00 0.00 N ATOM 671 CA VAL A 43 3.786 3.063 -1.123 1.00 0.00 C ATOM 672 C VAL A 43 2.853 1.919 -1.480 1.00 0.00 C ATOM 673 O VAL A 43 2.971 0.814 -0.949 1.00 0.00 O ATOM 674 CB VAL A 43 3.079 3.994 -0.124 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.474 5.185 -0.850 1.00 0.00 C ATOM 676 CG2 VAL A 43 2.021 3.236 0.653 1.00 0.00 C ATOM 0 H VAL A 43 3.830 4.738 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 43 4.689 2.662 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 43 3.816 4.367 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.977 5.835 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.263 5.741 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.748 4.834 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.531 3.911 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.281 2.832 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.489 2.419 1.202 1.00 0.00 H new ATOM 686 N VAL A 44 1.932 2.194 -2.390 1.00 0.00 N ATOM 687 CA VAL A 44 0.975 1.191 -2.832 1.00 0.00 C ATOM 688 C VAL A 44 1.701 -0.021 -3.398 1.00 0.00 C ATOM 689 O VAL A 44 1.265 -1.158 -3.222 1.00 0.00 O ATOM 690 CB VAL A 44 0.018 1.754 -3.899 1.00 0.00 C ATOM 691 CG1 VAL A 44 -0.846 2.858 -3.312 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.797 2.259 -5.103 1.00 0.00 C ATOM 0 H VAL A 44 1.827 3.104 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 44 0.388 0.895 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.638 0.950 -4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.516 3.244 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.434 2.459 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.209 3.664 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.103 2.653 -5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.480 3.049 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.367 1.438 -5.538 1.00 0.00 H new ATOM 702 N PHE A 45 2.823 0.230 -4.066 1.00 0.00 N ATOM 703 CA PHE A 45 3.621 -0.841 -4.641 1.00 0.00 C ATOM 704 C PHE A 45 4.306 -1.626 -3.534 1.00 0.00 C ATOM 705 O PHE A 45 4.536 -2.830 -3.655 1.00 0.00 O ATOM 706 CB PHE A 45 4.663 -0.274 -5.607 1.00 0.00 C ATOM 707 CG PHE A 45 4.154 -0.114 -7.012 1.00 0.00 C ATOM 708 CD1 PHE A 45 3.890 -1.224 -7.797 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.943 1.146 -7.547 1.00 0.00 C ATOM 710 CE1 PHE A 45 3.422 -1.080 -9.090 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.475 1.297 -8.839 1.00 0.00 C ATOM 712 CZ PHE A 45 3.215 0.182 -9.611 1.00 0.00 C ATOM 0 H PHE A 45 3.198 1.166 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 45 2.962 -1.508 -5.197 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.999 0.695 -5.238 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.533 -0.931 -5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.052 -2.213 -7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.147 2.021 -6.948 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.219 -1.953 -9.692 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.313 2.285 -9.244 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.850 0.297 -10.621 1.00 0.00 H new ATOM 722 N ALA A 46 4.617 -0.930 -2.448 1.00 0.00 N ATOM 723 CA ALA A 46 5.266 -1.545 -1.299 1.00 0.00 C ATOM 724 C ALA A 46 4.339 -2.550 -0.630 1.00 0.00 C ATOM 725 O ALA A 46 4.527 -3.764 -0.736 1.00 0.00 O ATOM 726 CB ALA A 46 5.697 -0.478 -0.303 1.00 0.00 C ATOM 0 H ALA A 46 4.429 0.067 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 46 6.151 -2.076 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.181 -0.952 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.397 0.206 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.823 0.077 0.037 1.00 0.00 H new ATOM 732 N ILE A 47 3.333 -2.030 0.054 1.00 0.00 N ATOM 733 CA ILE A 47 2.361 -2.868 0.740 1.00 0.00 C ATOM 734 C ILE A 47 1.737 -3.868 -0.224 1.00 0.00 C ATOM 735 O ILE A 47 1.482 -5.017 0.136 1.00 0.00 O ATOM 736 CB ILE A 47 1.248 -2.028 1.396 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.325 -1.432 0.331 1.00 0.00 C ATOM 738 CG2 ILE A 47 1.855 -0.931 2.259 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.413 0.077 0.221 1.00 0.00 C ATOM 0 H ILE A 47 3.167 -1.028 0.150 1.00 0.00 H new ATOM 0 HA ILE A 47 2.897 -3.404 1.524 1.00 0.00 H new ATOM 0 HB ILE A 47 0.651 -2.679 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.569 -1.872 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.704 -1.711 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.058 -0.345 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.469 -1.380 3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.473 -0.281 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.269 0.426 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.140 0.528 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.432 0.364 -0.037 1.00 0.00 H new ATOM 751 N GLU A 48 1.506 -3.433 -1.457 1.00 0.00 N ATOM 752 CA GLU A 48 0.924 -4.303 -2.469 1.00 0.00 C ATOM 753 C GLU A 48 1.765 -5.560 -2.614 1.00 0.00 C ATOM 754 O GLU A 48 1.242 -6.659 -2.813 1.00 0.00 O ATOM 755 CB GLU A 48 0.826 -3.574 -3.811 1.00 0.00 C ATOM 756 CG GLU A 48 0.393 -4.469 -4.961 1.00 0.00 C ATOM 757 CD GLU A 48 1.357 -5.614 -5.203 1.00 0.00 C ATOM 758 OE1 GLU A 48 2.575 -5.356 -5.288 1.00 0.00 O ATOM 759 OE2 GLU A 48 0.892 -6.769 -5.307 1.00 0.00 O ATOM 0 H GLU A 48 1.712 -2.487 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.082 -4.582 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.118 -2.750 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.795 -3.136 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.598 -4.871 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.308 -3.872 -5.869 1.00 0.00 H new ATOM 766 N GLN A 49 3.072 -5.386 -2.490 1.00 0.00 N ATOM 767 CA GLN A 49 4.003 -6.498 -2.582 1.00 0.00 C ATOM 768 C GLN A 49 3.760 -7.477 -1.443 1.00 0.00 C ATOM 769 O GLN A 49 3.712 -8.690 -1.651 1.00 0.00 O ATOM 770 CB GLN A 49 5.446 -5.992 -2.543 1.00 0.00 C ATOM 771 CG GLN A 49 6.318 -6.554 -3.654 1.00 0.00 C ATOM 772 CD GLN A 49 7.756 -6.079 -3.562 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.665 -6.864 -3.294 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.967 -4.787 -3.785 1.00 0.00 N ATOM 0 H GLN A 49 3.512 -4.481 -2.325 1.00 0.00 H new ATOM 0 HA GLN A 49 3.841 -7.010 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.443 -4.904 -2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.887 -6.251 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.295 -7.643 -3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.904 -6.262 -4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.183 -4.173 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.913 -4.409 -3.737 1.00 0.00 H new ATOM 783 N GLU A 50 3.599 -6.941 -0.235 1.00 0.00 N ATOM 784 CA GLU A 50 3.352 -7.766 0.931 1.00 0.00 C ATOM 785 C GLU A 50 1.875 -7.749 1.312 1.00 0.00 C ATOM 786 O GLU A 50 1.524 -7.804 2.491 1.00 0.00 O ATOM 787 CB GLU A 50 4.203 -7.291 2.110 1.00 0.00 C ATOM 788 CG GLU A 50 3.796 -7.902 3.440 1.00 0.00 C ATOM 789 CD GLU A 50 3.472 -9.379 3.328 1.00 0.00 C ATOM 790 OE1 GLU A 50 2.548 -9.729 2.565 1.00 0.00 O ATOM 791 OE2 GLU A 50 4.145 -10.186 4.004 1.00 0.00 O ATOM 0 H GLU A 50 3.636 -5.940 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 50 3.630 -8.790 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.248 -7.532 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.135 -6.206 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.602 -7.764 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.927 -7.371 3.829 1.00 0.00 H new ATOM 798 N PHE A 51 1.012 -7.675 0.302 1.00 0.00 N ATOM 799 CA PHE A 51 -0.425 -7.655 0.519 1.00 0.00 C ATOM 800 C PHE A 51 -1.159 -8.567 -0.468 1.00 0.00 C ATOM 801 O PHE A 51 -2.322 -8.910 -0.254 1.00 0.00 O ATOM 802 CB PHE A 51 -0.966 -6.228 0.410 1.00 0.00 C ATOM 803 CG PHE A 51 -1.141 -5.549 1.739 1.00 0.00 C ATOM 804 CD1 PHE A 51 -0.047 -5.055 2.430 1.00 0.00 C ATOM 805 CD2 PHE A 51 -2.402 -5.408 2.297 1.00 0.00 C ATOM 806 CE1 PHE A 51 -0.205 -4.432 3.653 1.00 0.00 C ATOM 807 CE2 PHE A 51 -2.567 -4.785 3.519 1.00 0.00 C ATOM 808 CZ PHE A 51 -1.468 -4.296 4.199 1.00 0.00 C ATOM 0 H PHE A 51 1.289 -7.628 -0.679 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.606 -8.031 1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.287 -5.637 -0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.926 -6.250 -0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.942 -5.158 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.265 -5.789 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.657 -4.052 4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.555 -4.680 3.943 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.595 -3.809 5.154 1.00 0.00 H new ATOM 818 N ILE A 52 -0.481 -8.958 -1.546 1.00 0.00 N ATOM 819 CA ILE A 52 -1.082 -9.829 -2.550 1.00 0.00 C ATOM 820 C ILE A 52 -2.238 -9.138 -3.262 1.00 0.00 C ATOM 821 O ILE A 52 -3.216 -9.780 -3.646 1.00 0.00 O ATOM 822 CB ILE A 52 -1.593 -11.141 -1.925 1.00 0.00 C ATOM 823 CG1 ILE A 52 -0.937 -11.373 -0.564 1.00 0.00 C ATOM 824 CG2 ILE A 52 -1.325 -12.314 -2.856 1.00 0.00 C ATOM 825 CD1 ILE A 52 -1.923 -11.395 0.583 1.00 0.00 C ATOM 0 H ILE A 52 0.482 -8.686 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.299 -10.059 -3.273 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.670 -11.059 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.396 -12.319 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.201 -10.589 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.692 -13.233 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.837 -12.150 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.253 -12.400 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.389 -11.564 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.447 -10.440 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.645 -12.197 0.427 1.00 0.00 H new ATOM 837 N LEU A 53 -2.118 -7.828 -3.441 1.00 0.00 N ATOM 838 CA LEU A 53 -3.151 -7.051 -4.114 1.00 0.00 C ATOM 839 C LEU A 53 -2.676 -5.624 -4.375 1.00 0.00 C ATOM 840 O LEU A 53 -2.097 -4.983 -3.500 1.00 0.00 O ATOM 841 CB LEU A 53 -4.433 -7.030 -3.278 1.00 0.00 C ATOM 842 CG LEU A 53 -5.717 -7.320 -4.056 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.511 -7.060 -5.541 1.00 0.00 C ATOM 844 CD2 LEU A 53 -6.168 -8.753 -3.822 1.00 0.00 C ATOM 0 H LEU A 53 -1.315 -7.282 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.360 -7.527 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.338 -7.763 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.525 -6.052 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.498 -6.650 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.435 -7.272 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.234 -6.017 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.717 -7.705 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.083 -8.943 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.389 -9.439 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.356 -8.906 -2.759 1.00 0.00 H new ATOM 856 N ASP A 54 -2.923 -5.138 -5.587 1.00 0.00 N ATOM 857 CA ASP A 54 -2.520 -3.795 -5.967 1.00 0.00 C ATOM 858 C ASP A 54 -3.539 -2.762 -5.496 1.00 0.00 C ATOM 859 O ASP A 54 -4.744 -3.010 -5.514 1.00 0.00 O ATOM 860 CB ASP A 54 -2.347 -3.701 -7.485 1.00 0.00 C ATOM 861 CG ASP A 54 -3.634 -3.989 -8.232 1.00 0.00 C ATOM 862 OD1 ASP A 54 -4.488 -4.718 -7.686 1.00 0.00 O ATOM 863 OD2 ASP A 54 -3.787 -3.486 -9.365 1.00 0.00 O ATOM 0 H ASP A 54 -3.402 -5.658 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.566 -3.582 -5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.994 -2.704 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.579 -4.405 -7.805 1.00 0.00 H new ATOM 868 N ILE A 55 -3.045 -1.603 -5.074 1.00 0.00 N ATOM 869 CA ILE A 55 -3.906 -0.533 -4.598 1.00 0.00 C ATOM 870 C ILE A 55 -4.197 0.478 -5.704 1.00 0.00 C ATOM 871 O ILE A 55 -5.274 1.070 -5.749 1.00 0.00 O ATOM 872 CB ILE A 55 -3.281 0.201 -3.398 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.298 -0.697 -2.159 1.00 0.00 C ATOM 874 CG2 ILE A 55 -4.022 1.501 -3.127 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.352 -0.240 -1.069 1.00 0.00 C ATOM 0 H ILE A 55 -2.049 -1.383 -5.053 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.840 -0.999 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.245 0.440 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.311 -0.731 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.037 -1.714 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.568 2.008 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.963 2.143 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.067 1.285 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.416 -0.923 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.332 -0.233 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.626 0.765 -0.747 1.00 0.00 H new ATOM 887 N PRO A 56 -3.232 0.686 -6.612 1.00 0.00 N ATOM 888 CA PRO A 56 -3.379 1.630 -7.724 1.00 0.00 C ATOM 889 C PRO A 56 -4.690 1.438 -8.479 1.00 0.00 C ATOM 890 O PRO A 56 -5.624 0.814 -7.975 1.00 0.00 O ATOM 891 CB PRO A 56 -2.191 1.298 -8.626 1.00 0.00 C ATOM 892 CG PRO A 56 -1.162 0.739 -7.704 1.00 0.00 C ATOM 893 CD PRO A 56 -1.920 0.014 -6.624 1.00 0.00 C ATOM 0 HA PRO A 56 -3.398 2.665 -7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.467 0.577 -9.395 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.823 2.186 -9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.492 0.061 -8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.545 1.532 -7.282 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.016 -1.049 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.419 0.095 -5.659 1.00 0.00 H new ATOM 901 N ASP A 57 -4.753 1.982 -9.690 1.00 0.00 N ATOM 902 CA ASP A 57 -5.949 1.872 -10.517 1.00 0.00 C ATOM 903 C ASP A 57 -7.139 2.546 -9.843 1.00 0.00 C ATOM 904 O ASP A 57 -7.023 3.073 -8.736 1.00 0.00 O ATOM 905 CB ASP A 57 -6.269 0.403 -10.796 1.00 0.00 C ATOM 906 CG ASP A 57 -5.435 -0.166 -11.926 1.00 0.00 C ATOM 907 OD1 ASP A 57 -4.213 0.095 -11.953 1.00 0.00 O ATOM 908 OD2 ASP A 57 -6.002 -0.874 -12.785 1.00 0.00 O ATOM 0 H ASP A 57 -3.989 2.504 -10.120 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.755 2.379 -11.462 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.098 -0.181 -9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.326 0.305 -11.043 1.00 0.00 H new ATOM 913 N HIS A 58 -8.284 2.524 -10.517 1.00 0.00 N ATOM 914 CA HIS A 58 -9.496 3.132 -9.982 1.00 0.00 C ATOM 915 C HIS A 58 -9.677 2.777 -8.510 1.00 0.00 C ATOM 916 O HIS A 58 -10.403 3.455 -7.782 1.00 0.00 O ATOM 917 CB HIS A 58 -10.717 2.677 -10.783 1.00 0.00 C ATOM 918 CG HIS A 58 -10.816 3.311 -12.134 1.00 0.00 C ATOM 919 ND1 HIS A 58 -11.776 2.964 -13.062 1.00 0.00 N ATOM 920 CD2 HIS A 58 -10.066 4.277 -12.717 1.00 0.00 C ATOM 921 CE1 HIS A 58 -11.613 3.688 -14.155 1.00 0.00 C ATOM 922 NE2 HIS A 58 -10.583 4.493 -13.971 1.00 0.00 N ATOM 0 H HIS A 58 -8.398 2.092 -11.434 1.00 0.00 H new ATOM 0 HA HIS A 58 -9.398 4.214 -10.067 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.681 1.594 -10.901 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.619 2.906 -10.216 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.219 4.783 -12.277 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.219 3.631 -15.047 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -10.228 5.166 -14.650 1.00 0.00 H new ATOM 931 N ASP A 59 -9.012 1.711 -8.078 1.00 0.00 N ATOM 932 CA ASP A 59 -9.098 1.266 -6.693 1.00 0.00 C ATOM 933 C ASP A 59 -8.511 2.310 -5.749 1.00 0.00 C ATOM 934 O ASP A 59 -9.098 2.627 -4.715 1.00 0.00 O ATOM 935 CB ASP A 59 -8.370 -0.067 -6.517 1.00 0.00 C ATOM 936 CG ASP A 59 -9.209 -1.248 -6.962 1.00 0.00 C ATOM 937 OD1 ASP A 59 -10.196 -1.570 -6.268 1.00 0.00 O ATOM 938 OD2 ASP A 59 -8.879 -1.852 -8.005 1.00 0.00 O ATOM 0 H ASP A 59 -8.407 1.139 -8.668 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.151 1.131 -6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.442 -0.049 -7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.097 -0.193 -5.469 1.00 0.00 H new ATOM 943 N ALA A 60 -7.348 2.842 -6.114 1.00 0.00 N ATOM 944 CA ALA A 60 -6.681 3.848 -5.302 1.00 0.00 C ATOM 945 C ALA A 60 -7.355 5.207 -5.452 1.00 0.00 C ATOM 946 O ALA A 60 -7.291 6.047 -4.555 1.00 0.00 O ATOM 947 CB ALA A 60 -5.209 3.941 -5.675 1.00 0.00 C ATOM 0 H ALA A 60 -6.850 2.591 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.758 3.546 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.725 4.698 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.730 2.976 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.117 4.215 -6.726 1.00 0.00 H new ATOM 953 N GLU A 61 -7.997 5.414 -6.594 1.00 0.00 N ATOM 954 CA GLU A 61 -8.682 6.668 -6.871 1.00 0.00 C ATOM 955 C GLU A 61 -10.010 6.741 -6.121 1.00 0.00 C ATOM 956 O GLU A 61 -10.417 7.808 -5.662 1.00 0.00 O ATOM 957 CB GLU A 61 -8.924 6.822 -8.373 1.00 0.00 C ATOM 958 CG GLU A 61 -7.867 7.659 -9.076 1.00 0.00 C ATOM 959 CD GLU A 61 -6.459 7.172 -8.799 1.00 0.00 C ATOM 960 OE1 GLU A 61 -5.974 7.370 -7.665 1.00 0.00 O ATOM 961 OE2 GLU A 61 -5.839 6.593 -9.716 1.00 0.00 O ATOM 0 H GLU A 61 -8.057 4.727 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.045 7.483 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.957 5.833 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.901 7.278 -8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.049 7.640 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.958 8.697 -8.755 1.00 0.00 H new ATOM 968 N LYS A 62 -10.679 5.599 -6.002 1.00 0.00 N ATOM 969 CA LYS A 62 -11.959 5.531 -5.311 1.00 0.00 C ATOM 970 C LYS A 62 -11.768 5.597 -3.800 1.00 0.00 C ATOM 971 O LYS A 62 -12.695 5.329 -3.035 1.00 0.00 O ATOM 972 CB LYS A 62 -12.699 4.246 -5.689 1.00 0.00 C ATOM 973 CG LYS A 62 -13.010 4.138 -7.173 1.00 0.00 C ATOM 974 CD LYS A 62 -14.454 3.731 -7.411 1.00 0.00 C ATOM 975 CE LYS A 62 -15.145 4.673 -8.385 1.00 0.00 C ATOM 976 NZ LYS A 62 -14.168 5.392 -9.248 1.00 0.00 N ATOM 0 H LYS A 62 -10.354 4.707 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.555 6.390 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.097 3.388 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.631 4.194 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.816 5.095 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.344 3.408 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.487 2.714 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.993 3.726 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.834 4.107 -9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.741 5.397 -7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.644 5.720 -10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.785 6.210 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.391 4.749 -9.503 1.00 0.00 H new ATOM 990 N ILE A 63 -10.560 5.953 -3.375 1.00 0.00 N ATOM 991 CA ILE A 63 -10.248 6.052 -1.959 1.00 0.00 C ATOM 992 C ILE A 63 -10.125 7.507 -1.521 1.00 0.00 C ATOM 993 O ILE A 63 -9.310 8.260 -2.054 1.00 0.00 O ATOM 994 CB ILE A 63 -8.941 5.311 -1.619 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.129 4.445 -0.372 1.00 0.00 C ATOM 996 CG2 ILE A 63 -7.806 6.303 -1.415 1.00 0.00 C ATOM 997 CD1 ILE A 63 -8.714 3.004 -0.568 1.00 0.00 C ATOM 0 H ILE A 63 -9.782 6.178 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.073 5.584 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.683 4.661 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.551 4.873 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.177 4.475 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.890 5.763 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.659 6.880 -2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.055 6.977 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.875 2.450 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.309 2.559 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.658 2.963 -0.837 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.940 7.896 -0.545 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.925 9.252 -0.035 1.00 0.00 C ATOM 1011 C GLN A 64 -10.544 9.277 1.441 1.00 0.00 C ATOM 1012 O GLN A 64 -10.060 10.288 1.952 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.290 9.913 -0.235 1.00 0.00 C ATOM 1014 CG GLN A 64 -12.808 9.821 -1.661 1.00 0.00 C ATOM 1015 CD GLN A 64 -13.896 8.777 -1.820 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -15.074 9.107 -1.949 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -13.503 7.508 -1.813 1.00 0.00 N ATOM 0 H GLN A 64 -11.620 7.284 -0.094 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.175 9.812 -0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.012 9.447 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.221 10.963 0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.195 10.793 -1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.981 9.583 -2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.515 7.281 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.190 6.761 -1.917 1.00 0.00 H new ATOM 1026 N SER A 65 -10.765 8.157 2.122 1.00 0.00 N ATOM 1027 CA SER A 65 -10.443 8.049 3.541 1.00 0.00 C ATOM 1028 C SER A 65 -9.175 7.228 3.751 1.00 0.00 C ATOM 1029 O SER A 65 -8.966 6.210 3.091 1.00 0.00 O ATOM 1030 CB SER A 65 -11.608 7.413 4.301 1.00 0.00 C ATOM 1031 OG SER A 65 -12.336 8.387 5.029 1.00 0.00 O ATOM 0 H SER A 65 -11.165 7.312 1.715 1.00 0.00 H new ATOM 0 HA SER A 65 -10.271 9.054 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.272 6.908 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.229 6.653 4.984 1.00 0.00 H new ATOM 0 HG SER A 65 -13.076 7.955 5.504 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.332 7.678 4.674 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.084 6.986 4.972 1.00 0.00 C ATOM 1039 C ILE A 66 -7.347 5.580 5.501 1.00 0.00 C ATOM 1040 O ILE A 66 -6.727 4.612 5.058 1.00 0.00 O ATOM 1041 CB ILE A 66 -6.244 7.761 6.004 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -6.344 9.266 5.751 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -4.794 7.305 5.956 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -5.055 9.881 5.250 1.00 0.00 C ATOM 0 H ILE A 66 -8.491 8.519 5.229 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.528 6.921 4.037 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.637 7.553 6.999 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.133 9.452 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.639 9.763 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.213 7.862 6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.740 6.240 6.182 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.389 7.486 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.199 10.950 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.267 9.726 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.769 9.411 4.309 1.00 0.00 H new ATOM 1056 N PRO A 67 -8.276 5.451 6.459 1.00 0.00 N ATOM 1057 CA PRO A 67 -8.626 4.158 7.055 1.00 0.00 C ATOM 1058 C PRO A 67 -9.330 3.236 6.066 1.00 0.00 C ATOM 1059 O PRO A 67 -9.141 2.020 6.093 1.00 0.00 O ATOM 1060 CB PRO A 67 -9.568 4.534 8.201 1.00 0.00 C ATOM 1061 CG PRO A 67 -10.139 5.853 7.809 1.00 0.00 C ATOM 1062 CD PRO A 67 -9.057 6.558 7.037 1.00 0.00 C ATOM 0 HA PRO A 67 -7.743 3.607 7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.351 3.787 8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.032 4.601 9.148 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.034 5.726 7.200 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.431 6.429 8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.471 7.205 6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.445 7.187 7.684 1.00 0.00 H new ATOM 1070 N ASP A 68 -10.143 3.822 5.193 1.00 0.00 N ATOM 1071 CA ASP A 68 -10.875 3.051 4.195 1.00 0.00 C ATOM 1072 C ASP A 68 -9.917 2.326 3.259 1.00 0.00 C ATOM 1073 O ASP A 68 -10.229 1.256 2.738 1.00 0.00 O ATOM 1074 CB ASP A 68 -11.803 3.964 3.392 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.006 3.225 2.841 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -12.865 2.555 1.796 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.090 3.315 3.454 1.00 0.00 O ATOM 0 H ASP A 68 -10.311 4.827 5.157 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.476 2.306 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.142 4.782 4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.246 4.410 2.568 1.00 0.00 H new ATOM 1082 N ALA A 69 -8.750 2.920 3.052 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.740 2.340 2.181 1.00 0.00 C ATOM 1084 C ALA A 69 -7.038 1.173 2.857 1.00 0.00 C ATOM 1085 O ALA A 69 -6.889 0.098 2.277 1.00 0.00 O ATOM 1086 CB ALA A 69 -6.730 3.398 1.762 1.00 0.00 C ATOM 0 H ALA A 69 -8.480 3.807 3.478 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.240 1.961 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.981 2.948 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.242 4.198 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.243 3.807 2.647 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.609 1.398 4.088 1.00 0.00 N ATOM 1093 CA VAL A 70 -5.920 0.374 4.859 1.00 0.00 C ATOM 1094 C VAL A 70 -6.869 -0.753 5.248 1.00 0.00 C ATOM 1095 O VAL A 70 -6.438 -1.861 5.565 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.286 0.961 6.133 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -5.049 -0.132 7.164 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -3.988 1.682 5.802 1.00 0.00 C ATOM 0 H VAL A 70 -6.726 2.285 4.578 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.131 -0.024 4.221 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.979 1.687 6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.600 0.302 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.999 -0.598 7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.377 -0.884 6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.555 2.090 6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.287 0.980 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.191 2.493 5.103 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.163 -0.458 5.228 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.179 -1.436 5.582 1.00 0.00 C ATOM 1110 C GLU A 71 -9.451 -2.397 4.430 1.00 0.00 C ATOM 1111 O GLU A 71 -9.659 -3.592 4.642 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.474 -0.732 5.990 1.00 0.00 C ATOM 1113 CG GLU A 71 -10.565 -0.440 7.478 1.00 0.00 C ATOM 1114 CD GLU A 71 -11.815 0.337 7.845 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -12.299 1.116 6.997 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -12.310 0.165 8.978 1.00 0.00 O ATOM 0 H GLU A 71 -8.533 0.456 4.969 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.803 -2.015 6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.558 0.205 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.322 -1.351 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.551 -1.380 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.686 0.125 7.788 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.457 -1.870 3.208 1.00 0.00 N ATOM 1124 CA TYR A 72 -9.712 -2.685 2.028 1.00 0.00 C ATOM 1125 C TYR A 72 -8.561 -3.646 1.770 1.00 0.00 C ATOM 1126 O TYR A 72 -8.764 -4.846 1.574 1.00 0.00 O ATOM 1127 CB TYR A 72 -9.934 -1.795 0.804 1.00 0.00 C ATOM 1128 CG TYR A 72 -8.832 -1.895 -0.226 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.792 -2.950 -1.129 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -7.830 -0.934 -0.295 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.786 -3.045 -2.072 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -6.821 -1.023 -1.235 1.00 0.00 C ATOM 1133 CZ TYR A 72 -6.803 -2.079 -2.120 1.00 0.00 C ATOM 1134 OH TYR A 72 -5.799 -2.171 -3.058 1.00 0.00 O ATOM 0 H TYR A 72 -9.288 -0.883 3.011 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.614 -3.269 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -10.882 -2.064 0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.022 -0.759 1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.560 -3.709 -1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.840 -0.105 0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.770 -3.871 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.050 -0.268 -1.276 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.109 -2.708 -3.817 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.354 -3.108 1.779 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.159 -3.909 1.553 1.00 0.00 C ATOM 1146 C ILE A 73 -5.965 -4.923 2.669 1.00 0.00 C ATOM 1147 O ILE A 73 -5.480 -6.030 2.442 1.00 0.00 O ATOM 1148 CB ILE A 73 -4.897 -3.030 1.445 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.045 -1.778 2.306 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -4.632 -2.656 -0.006 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -3.998 -1.663 3.390 1.00 0.00 C ATOM 0 H ILE A 73 -7.173 -2.117 1.941 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.304 -4.432 0.608 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.044 -3.600 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.991 -0.898 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.033 -1.778 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.738 -2.036 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.484 -3.562 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.484 -2.102 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.165 -0.750 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.066 -2.525 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.007 -1.631 2.937 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.354 -4.534 3.875 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.233 -5.401 5.040 1.00 0.00 C ATOM 1165 C ALA A 74 -7.064 -6.664 4.870 1.00 0.00 C ATOM 1166 O ALA A 74 -6.646 -7.757 5.256 1.00 0.00 O ATOM 1167 CB ALA A 74 -6.649 -4.656 6.299 1.00 0.00 C ATOM 0 H ALA A 74 -6.758 -3.619 4.073 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.188 -5.696 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.553 -5.316 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.007 -3.786 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.685 -4.331 6.204 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.241 -6.503 4.289 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.143 -7.619 4.062 1.00 0.00 C ATOM 1175 C GLN A 75 -8.717 -8.410 2.831 1.00 0.00 C ATOM 1176 O GLN A 75 -9.122 -9.558 2.647 1.00 0.00 O ATOM 1177 CB GLN A 75 -10.578 -7.119 3.891 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.078 -6.294 5.066 1.00 0.00 C ATOM 1179 CD GLN A 75 -10.084 -6.246 6.209 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -9.488 -7.260 6.571 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -9.903 -5.064 6.787 1.00 0.00 N ATOM 0 H GLN A 75 -8.596 -5.604 3.964 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.100 -8.275 4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.639 -6.518 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.238 -7.975 3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.288 -5.279 4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.019 -6.712 5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.419 -4.249 6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.248 -4.971 7.564 1.00 0.00 H new ATOM 1190 N ASN A 76 -7.894 -7.789 1.994 1.00 0.00 N ATOM 1191 CA ASN A 76 -7.407 -8.435 0.782 1.00 0.00 C ATOM 1192 C ASN A 76 -6.584 -9.674 1.122 1.00 0.00 C ATOM 1193 O ASN A 76 -6.904 -10.781 0.689 1.00 0.00 O ATOM 1194 CB ASN A 76 -6.569 -7.457 -0.042 1.00 0.00 C ATOM 1195 CG ASN A 76 -7.343 -6.877 -1.210 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -7.488 -7.517 -2.251 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -7.842 -5.659 -1.041 1.00 0.00 N ATOM 0 H ASN A 76 -7.550 -6.839 2.133 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.269 -8.745 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.224 -6.647 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.681 -7.968 -0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.371 -5.216 -1.792 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.697 -5.166 -0.160 1.00 0.00 H new ATOM 1204 N PRO A 77 -5.509 -9.501 1.908 1.00 0.00 N ATOM 1205 CA PRO A 77 -4.639 -10.608 2.308 1.00 0.00 C ATOM 1206 C PRO A 77 -5.276 -11.485 3.380 1.00 0.00 C ATOM 1207 O PRO A 77 -5.084 -12.701 3.398 1.00 0.00 O ATOM 1208 CB PRO A 77 -3.404 -9.899 2.863 1.00 0.00 C ATOM 1209 CG PRO A 77 -3.921 -8.600 3.374 1.00 0.00 C ATOM 1210 CD PRO A 77 -5.062 -8.217 2.468 1.00 0.00 C ATOM 0 HA PRO A 77 -4.425 -11.282 1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.936 -10.480 3.657 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.650 -9.750 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.258 -8.694 4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.141 -7.838 3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.861 -7.720 3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.739 -7.530 1.686 1.00 0.00 H new ATOM 1218 N MET A 78 -6.038 -10.861 4.275 1.00 0.00 N ATOM 1219 CA MET A 78 -6.702 -11.586 5.348 1.00 0.00 C ATOM 1220 C MET A 78 -7.863 -12.413 4.806 1.00 0.00 C ATOM 1221 O MET A 78 -8.329 -13.350 5.455 1.00 0.00 O ATOM 1222 CB MET A 78 -7.207 -10.613 6.414 1.00 0.00 C ATOM 1223 CG MET A 78 -6.577 -10.825 7.780 1.00 0.00 C ATOM 1224 SD MET A 78 -7.794 -10.866 9.109 1.00 0.00 S ATOM 1225 CE MET A 78 -8.089 -12.628 9.245 1.00 0.00 C ATOM 0 H MET A 78 -6.209 -9.855 4.276 1.00 0.00 H new ATOM 0 HA MET A 78 -5.976 -12.262 5.800 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.008 -9.593 6.086 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.289 -10.714 6.503 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.018 -11.761 7.776 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.861 -10.026 7.973 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.823 -12.815 10.029 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.467 -13.008 8.296 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.156 -13.135 9.493 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.325 -12.059 3.611 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.427 -12.763 2.980 1.00 0.00 C ATOM 1237 C ALA A 79 -8.924 -13.900 2.101 1.00 0.00 C ATOM 1238 O ALA A 79 -9.613 -14.902 1.907 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.275 -11.796 2.166 1.00 0.00 C ATOM 0 H ALA A 79 -7.950 -11.286 3.062 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.045 -13.196 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.097 -12.338 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.676 -11.023 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.660 -11.334 1.394 1.00 0.00 H new ATOM 1245 N LYS A 80 -7.719 -13.735 1.573 1.00 0.00 N ATOM 1246 CA LYS A 80 -7.116 -14.745 0.711 1.00 0.00 C ATOM 1247 C LYS A 80 -6.925 -16.059 1.463 1.00 0.00 C ATOM 1248 O LYS A 80 -7.621 -17.040 1.123 1.00 0.00 O ATOM 1249 CB LYS A 80 -5.770 -14.251 0.177 1.00 0.00 C ATOM 1250 CG LYS A 80 -5.756 -12.768 -0.155 1.00 0.00 C ATOM 1251 CD LYS A 80 -4.674 -12.435 -1.171 1.00 0.00 C ATOM 1252 CE LYS A 80 -5.269 -12.110 -2.531 1.00 0.00 C ATOM 1253 NZ LYS A 80 -6.469 -11.234 -2.419 1.00 0.00 N ATOM 1254 OXT LYS A 80 -6.084 -16.096 2.384 1.00 0.00 O ATOM 0 H LYS A 80 -7.138 -12.911 1.726 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.790 -14.921 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.997 -14.457 0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.513 -14.818 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.729 -12.473 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.592 -12.192 0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.089 -11.586 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.989 -13.278 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.517 -11.618 -3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.542 -13.035 -3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.713 -10.858 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.269 -11.786 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.264 -10.446 -1.772 1.00 0.00 H new